[4-[2-[2-chloranyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-2,3-dicyano-phenyl] propanoate

Systemtic Name: [4-[2-[2-chloranyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-2,3-dicyano-phenyl] propanoate Openeye Name: [4-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-2,3-dicyano-phenyl] propanoate CAS Name: propanoic acid [4-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-2,3-dicyanophenyl] ester IUPAC Name: [4-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-2,3-dicyanophenyl] propanoate Traditional Name: propionic acid [4-[2-[2-chloro-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]-2,3-dicyano-phenyl] ester Formula: C30H33ClN2O2 MolecularWeight: 489.04822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=CC(=C(C=C3)CCC4=C(C(=C(C=C4)OC(=O)CC)C#N)C#N)Cl

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=CC(=C(C=C3)CCC4=C(C(=C(C=C4)OC(=O)CC)C#N)C#N)Cl

InChI

InChI=1S/C30H33ClN2O2/c1-3-11-29-12-15-30(16-13-29,17-14-29)23-9-7-22(26(31)18-23)6-5-21-8-10-27(35-28(34)4-2)25(20-33)24(21)19-32/h7-10,18H,3-6,11-17H2,1-2H3